%chk=000211320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211320

0 1
O 1.393674 0.781107 1.187802
O -0.678955 -0.079557 2.224105
O 0.790531 0.591497 -0.985171
O -5.544276 1.674113 -1.260076
N 4.936719 1.256937 0.173419
N -0.847667 -4.066788 1.412880
C -0.669786 -0.325283 0.813348
C 3.656191 0.499651 0.319490
C 2.620371 1.504294 0.840825
C -1.974930 0.234033 0.288379
C 6.120968 0.454302 0.594757
C 5.073789 1.836730 -1.204026
C -0.548384 -1.816478 0.555118
C 0.550200 0.402002 0.182613
C -3.011140 0.523173 1.185438
C -2.163785 0.439612 -1.092149
C 6.403121 -0.813345 -0.215408
C 6.097965 2.971925 -1.193766
C -0.138743 -2.330566 -0.681312
C -0.905526 -2.722612 1.575461
C -4.237140 1.012283 0.726499
C -3.372273 0.923567 -1.571739
C -4.405008 1.205400 -0.650148
C -0.079629 -3.714877 -0.859534
C -0.439528 -4.550971 0.209756
C -6.678279 2.003068 -0.420701
H 3.296446 0.034545 -0.624450
H 3.763915 -0.331273 1.049624
H 2.896303 1.945256 1.815904
H 2.375366 2.292907 0.110557
H 7.005540 1.130297 0.555941
H 5.979970 0.195252 1.668320
H 5.354683 1.075053 -1.963644
H 4.083233 2.240896 -1.512981
H -2.856459 0.368146 2.258254
H -1.348926 0.230073 -1.792416
H 7.294265 -1.328093 0.160847
H 6.581287 -0.587342 -1.273155
H 5.572536 -1.525342 -0.169015
H 5.899742 3.674757 -0.373186
H 7.120615 2.601980 -1.061492
H 6.065316 3.535872 -2.131968
H 0.133428 -1.657837 -1.500522
H 0.228273 -0.167190 2.610883
H -1.251964 -2.357834 2.553648
H -5.028938 1.231965 1.433960
H -3.540422 1.092375 -2.632989
H 0.234957 -4.138273 -1.810584
H -0.408657 -5.642993 0.117461
H -7.031551 1.112255 0.106448
H -6.418536 2.811290 0.268890
H -7.414803 2.339743 -1.162195


%chk=000211320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211320

0 1
O 1.358181 0.742403 1.376691
O -0.744788 -0.380703 2.302666
O 0.737598 0.712740 -0.869215
O -5.650738 1.756292 -1.202260
N 4.921691 1.242365 0.209416
N -0.921423 -4.259393 0.917495
C -0.696728 -0.424079 0.841729
C 3.741371 0.479997 0.668782
C 2.620566 1.475767 1.029315
C -2.020945 0.172279 0.308307
C 6.220543 0.759747 0.741475
C 4.889442 1.544108 -1.246367
C -0.522301 -1.896606 0.376199
C 0.510959 0.406197 0.320865
C -2.980629 0.668726 1.216414
C -2.304369 0.217117 -1.082283
C 6.710108 -0.614648 0.209412
C 5.831094 2.693748 -1.648485
C 0.029099 -2.268933 -0.873833
C -0.980432 -2.932702 1.233118
C -4.206735 1.204653 0.760535
C -3.515939 0.752926 -1.548835
C -4.474626 1.247989 -0.628770
C 0.100178 -3.638891 -1.211719
C -0.385789 -4.595877 -0.294198
C -6.676667 2.271743 -0.293161
H 3.362865 -0.238471 -0.094237
H 4.004734 -0.108266 1.566295
H 2.866760 2.050059 1.934103
H 2.403660 2.155394 0.188196
H 6.985658 1.528495 0.528268
H 6.129943 0.713565 1.843653
H 5.119332 0.639321 -1.862057
H 3.851309 1.828641 -1.501068
H -2.759383 0.627551 2.285461
H -1.575791 -0.153804 -1.808456
H 7.666825 -0.889452 0.691209
H 6.878234 -0.593215 -0.882504
H 5.979797 -1.415756 0.427739
H 5.618172 3.592312 -1.042859
H 6.895034 2.428862 -1.511084
H 5.687450 2.945635 -2.715099
H 0.405013 -1.509371 -1.567227
H 0.166221 -0.153119 2.627815
H -1.402361 -2.679151 2.209529
H -4.931396 1.577304 1.490667
H -3.743333 0.796857 -2.618130
H 0.524404 -3.958765 -2.168822
H -0.351042 -5.667622 -0.521194
H -7.044339 1.480847 0.389393
H -6.296852 3.126088 0.300675
H -7.495538 2.608797 -0.945558


